methanesulfonic acid; 6-[5-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: methanesulfonic acid; 6-[5-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[5-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazol-4-yl]benzimidazol-2-amine; methanesulfonic acid CAS Name: methanesulfonic acid; 6-[5-phenyl-2-[2-(trifluoromethylthio)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: methanesulfonic acid; 6-[5-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[5-phenyl-2-[2-(trifluoromethylthio)phenyl]-1H-imidazol-4-yl]benzimidazol-2-yl]amine; mesylic acid Formula: C28H30F3N5O8S4 MolecularWeight: 749.82171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=CC=CC=C4SC(F)(F)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=CC=CC=C4SC(F)(F)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C26H22F3N5O2S2.2CH4O3S/c1-15(2)38(35,36)34-20-14-17(12-13-19(20)31-25(34)30)23-22(16-8-4-3-5-9-16)32-24(33-23)18-10-6-7-11-21(18)37-26(27,28)29;2*1-5(2,3)4/h3-15H,1-2H3,(H2,30,31)(H,32,33);2*1H3,(H,2,3,4)